HRID1119526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID117782

1-Piperidinepropanoic acid

C8H15NO2

HCID123351

Perchlorate

ClO4-

HCID10889831

未命名化合物

结构：NCCCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1

HCID68407996

未命名化合物

PRODUCTS

生成物

结构：O=C(CCN1CCCCC1)NCCCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1

HCID68406051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47824537162d414288d6a7369b1441fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:17][N:18]([P+:19]([N:20]([CH3:21])[CH3:22])([N:23]([CH3:24])[CH3:25])[Cl:26])[CH3:27].[CH3:63][N:64]1[CH2:65][CH2:66][CH2:67][C:68]1=[O:69].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl+3:12]([O-:13])([O-:14])([O-:15])[O-:16].[N:1]1([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:37][CH2:38][CH2:39][CH2:40][N:41]([C:42](=[O:43])[c:44]1[s:45][cH:46][cH:47][cH:48]1)[c:49]1[s:50][cH:51][c:52](-[c:54]2[o:55][c:56]3[c:57]([cH:58]2)[cH:59][cH:60][cH:61][cH:62]3)[n:53]1>>[N:1]1([CH2:7][CH2:8][C:9](=[O:11])[NH:37][CH2:38][CH2:39][CH2:40][N:41]([C:42](=[O:43])[c:44]2[s:45][cH:46][cH:47][cH:48]2)[c:49]2[s:50][cH:51][c:52](-[c:54]3[o:55][c:56]4[c:57]([cH:58]3)[cH:59][cH:60][cH:61][cH:62]4)[n:53]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1